Campbell, Quintina https://orcid.org/0009-0006-8712-6416
Cox, Sam https://orcid.org/0000-0002-4441-9327
Medina, Jorge https://orcid.org/0000-0003-2174-5557
Watterson, Brittany https://orcid.org/0000-0002-6873-2553
White, Andrew D https://orcid.org/0000-0002-6647-3965
Funding for this research was provided by:
National Institute of General Medical Sciences (R35GM137966)
National Science Foundation (1751471)
U.S. Department of Energy (DE-SC0023354)
Article Title: MDCrow: automating molecular dynamics workflows with large language models
Journal Title: Machine Learning: Science and Technology
Article Type: paper
Copyright Information: © 2026 The Author(s). Published by IOP Publishing Ltd
Publication dates
Date Received: 2025-10-24
Date Accepted: 2026-02-26
Online publication date: 2026-03-30